1-(4-oxo-1H-pyridin-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one

C13H10F3N3O2 — CID 170433172

IUPAC1-(4-oxo-1H-pyridin-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one
SMILESO=C1CCCc2c(C(F)(F)F)nn(-c3cc(=O)cc[nH]3)c21
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)12-8-2-1-3-9(21)11(8)19(18-12)10-6-7(20)4-5-17-10/h4-6H,1-3H2,(H,17,20)
InChIKeyJFPAEHBAHXPLBV-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.10
Rot. Bonds1

About 1-(4-oxo-1H-pyridin-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one

1-(4-oxo-1H-pyridin-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one (PubChem CID 170433172) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(4-oxo-1H-pyridin-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one.

Molecular Properties

Compound Name1-(4-oxo-1H-pyridin-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one
PubChem CID170433172
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name1-(4-oxo-1H-pyridin-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one
SMILESO=C1CCCc2c(C(F)(F)F)nn(-c3cc(=O)cc[nH]3)c21
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)12-8-2-1-3-9(21)11(8)19(18-12)10-6-7(20)4-5-17-10/h4-6H,1-3H2,(H,17,20)
InChIKeyJFPAEHBAHXPLBV-UHFFFAOYSA-N
XLogP2.10
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-oxo-1H-pyridin-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one?
The IUPAC name of 1-(4-oxo-1H-pyridin-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one (CID 170433172) is 1-(4-oxo-1H-pyridin-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one.
What is the SMILES notation for 1-(4-oxo-1H-pyridin-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one?
The canonical SMILES for 1-(4-oxo-1H-pyridin-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one is O=C1CCCc2c(C(F)(F)F)nn(-c3cc(=O)cc[nH]3)c21.
What is the InChIKey of 1-(4-oxo-1H-pyridin-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one?
The InChIKey is JFPAEHBAHXPLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c14-13(15,16)12-8-2-1-3-9(21)11(8)19(18-12)10-6-7(20)4-5-17-10/h4-6H,1-3H2,(H,17,20).
What are the key properties of 1-(4-oxo-1H-pyridin-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one?
1-(4-oxo-1H-pyridin-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one has a molecular weight of 297.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxo-1H-pyridin-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one is sourced from PubChem (CID 170433172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).